1,3,5-Triazine-2-acetonitrile, 4-amino-6-ethoxy-
TL;DR: 1,3,5-Triazine-2-acetonitrile, 4-amino-6-ethoxy- (CAS 5311-00-2) is a chemical compound with molecular formula C7H9N5O and molecular weight 179.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)acetonitrile
Also Known As: 1,3,5-Triazine-2-acetonitrile, 4-amino-6-ethoxy-, 4-Amino-6-ethoxy-1,3,5-triazine-2-acetonitrile, 5-26-10-00324 (Beilstein Handbook Reference), 2-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)acetonitrile, (4-Amino-6-ethoxy-1,3,5-triazin-2-yl)acetonitrile
| Molecular Formula | C7H9N5O |
|---|---|
| Molecular Weight | 179.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.0807 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 5311-00-2 |
|---|---|
| SMILES | CCOC1=NC(=NC(=N1)N)CC#N |
| InChIKey | ATEUVAKUODRAMZ-UHFFFAOYSA-N |
Product Overview
1,3,5-Triazine-2-acetonitrile, 4-amino-6-ethoxy- (CAS 5311-00-2), with molecular formula C7H9N5O and molecular weight 179.08 g/mol. IUPAC: 2-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)acetonitrile.
Chemical Property Profile of 1,3,5-Triazine-2-acetonitrile, 4-amino-6-ethoxy-
Property Insights of 1,3,5-Triazine-2-acetonitrile, 4-amino-6-ethoxy-
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Triazine-2-acetonitrile, 4-amino-6-ethoxy-. The TPSA of 97.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Triazine-2-acetonitrile, 4-amino-6-ethoxy-. Following Lipinski's Rule of Five, 1,3,5-Triazine-2-acetonitrile, 4-amino-6-ethoxy- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,5-Triazine-2-acetonitrile, 4-amino-6-ethoxy-?
The CAS number of 1,3,5-Triazine-2-acetonitrile, 4-amino-6-ethoxy- is 5311-00-2.
What is the molecular formula of 1,3,5-Triazine-2-acetonitrile, 4-amino-6-ethoxy-?
The molecular formula of 1,3,5-Triazine-2-acetonitrile, 4-amino-6-ethoxy- is C7H9N5O.
What is the molecular weight of 1,3,5-Triazine-2-acetonitrile, 4-amino-6-ethoxy-?
The molecular weight of 1,3,5-Triazine-2-acetonitrile, 4-amino-6-ethoxy- is 179.08 g/mol.
Where can I buy 1,3,5-Triazine-2-acetonitrile, 4-amino-6-ethoxy-?
You can request a quote for 1,3,5-Triazine-2-acetonitrile, 4-amino-6-ethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Triazine-2-acetonitrile, 4-amino-6-ethoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Triazine-2-acetonitrile, 4-amino-6-ethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.